
 CHEMBL3401376

 64 66  0  0  0  0  0  0  0  0999 V2000
    1.2235   -1.3700    0.4129 C   0  0  0  0  0
    2.6468   -0.8306    0.4690 C   0  0  0  0  0
    2.7698    0.6840    0.1650 C   0  0  0  0  0
    1.8395    1.5413    1.0507 C   0  0  0  0  0
    2.1061    1.4516    2.5477 C   0  0  0  0  0
    4.2759    1.0731    0.2216 C   0  0  0  0  0
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    4.2046    2.9663   -1.5154 C   0  0  0  0  0
    4.6215    4.4058   -1.8244 C   0  0  0  0  0
    6.0372    4.6888   -1.5646 N   0  0  0  0  0
    6.5804    4.1509   -0.3202 C   0  0  0  0  0
    6.1911    2.7005   -0.0612 C   0  0  0  0  0
    6.4991    5.9866   -1.8544 C   0  0  0  0  0
    7.2440    6.6061   -1.0976 O   0  0  0  0  0
    6.0844    6.4563   -3.0896 N   0  0  0  0  0
    6.3436    7.7825   -3.4936 C   0  0  0  0  0
    6.1268    8.8525   -2.6195 C   0  0  0  0  0
    6.4827   10.1485   -2.9918 C   0  0  0  0  0
    6.9998   10.3797   -4.2694 C   0  0  0  0  0
    7.1915    9.3190   -5.1681 C   0  0  0  0  0
    6.8262    8.0215   -4.7812 C   0  0  0  0  0
    7.7593    9.5769   -6.5303 C   0  0  0  0  0
    6.3132   11.2677   -2.2060 O   0  0  0  0  0
    6.3266   11.1571   -0.8341 C   0  0  0  0  0
    5.4391   11.9884   -0.1421 C   0  0  0  0  0
    5.3930   11.9553    1.2524 C   0  0  0  0  0
    6.2395   11.0971    1.9445 C   0  0  0  0  0
    7.1484   10.2898    1.2698 C   0  0  0  0  0
    7.2090   10.3361   -0.1240 C   0  0  0  0  0
    6.1832   11.0524    3.2824 F   0  0  0  0  0
    4.0888    3.4100    0.8497 O   0  0  0  0  0
    1.2326   -2.4610    0.5014 H   0  0  0  0  0
    0.7394   -1.1092   -0.5330 H   0  0  0  0  0
    0.6134   -0.9849    1.2347 H   0  0  0  0  0
    3.2469   -1.3854   -0.2633 H   0  0  0  0  0
    3.0748   -1.0575    1.4528 H   0  0  0  0  0
    2.4340    0.8233   -0.8710 H   0  0  0  0  0
    0.7970    1.2538    0.8694 H   0  0  0  0  0
    1.8844    2.5886    0.7364 H   0  0  0  0  0
    1.9229    0.4423    2.9273 H   0  0  0  0  0
    1.4366    2.1314    3.0850 H   0  0  0  0  0
    3.1316    1.7292    2.8015 H   0  0  0  0  0
    4.8197    0.4076   -0.4635 H   0  0  0  0  0
    4.6485    0.8408    1.2282 H   0  0  0  0  0
    3.1139    2.9105   -1.6032 H   0  0  0  0  0
    4.6302    2.2938   -2.2712 H   0  0  0  0  0
    4.3935    4.6208   -2.8744 H   0  0  0  0  0
    4.0306    5.1084   -1.2238 H   0  0  0  0  0
    7.6742    4.2276   -0.3584 H   0  0  0  0  0
    6.2440    4.7912    0.5056 H   0  0  0  0  0
    6.6715    2.0496   -0.8026 H   0  0  0  0  0
    6.5737    2.4122    0.9253 H   0  0  0  0  0
    6.1130    5.7418   -3.8019 H   0  0  0  0  0
    5.6812    8.6608   -1.6474 H   0  0  0  0  0
    7.2635   11.3940   -4.5586 H   0  0  0  0  0
    6.9786    7.1949   -5.4702 H   0  0  0  0  0
    8.2795    8.6906   -6.9113 H   0  0  0  0  0
    8.4942   10.3895   -6.4960 H   0  0  0  0  0
    6.9578    9.8469   -7.2264 H   0  0  0  0  0
    4.7807   12.6566   -0.6909 H   0  0  0  0  0
    4.7032   12.5889    1.8007 H   0  0  0  0  0
    7.8021    9.6270    1.8274 H   0  0  0  0  0
    7.9331    9.7110   -0.6420 H   0  0  0  0  0
    4.4490    3.1807    1.7240 H   0  0  0  0  0
  1  2  1  0  0  0
  1 32  1  0  0  0
  1 33  1  0  0  0
  1 34  1  0  0  0
  2  3  1  0  0  0
  2 35  1  0  0  0
  2 36  1  0  0  0
  3  6  1  0  0  0
  3  4  1  0  0  0
  3 37  1  0  0  0
  4  5  1  0  0  0
  4 38  1  0  0  0
  4 39  1  0  0  0
  5 40  1  0  0  0
  5 41  1  0  0  0
  5 42  1  0  0  0
  6  7  1  0  0  0
  6 43  1  0  0  0
  6 44  1  0  0  0
  7 12  1  0  0  0
  7  8  1  0  0  0
  7 31  1  0  0  0
  8  9  1  0  0  0
  8 45  1  0  0  0
  8 46  1  0  0  0
  9 10  1  0  0  0
  9 47  1  0  0  0
  9 48  1  0  0  0
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 10 13  1  0  0  0
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 20 22  1  0  0  0
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 23 24  1  0  0  0
 24 25  2  0  0  0
 24 29  1  0  0  0
 25 26  1  0  0  0
 25 60  1  0  0  0
 26 27  2  0  0  0
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 27 28  1  0  0  0
 27 30  1  0  0  0
 28 29  2  0  0  0
 28 62  1  0  0  0
 29 63  1  0  0  0
 31 64  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL3401376

>  <PubChem CID>
118728425

>  <Formula>
C25H33FN2O3

>  <Molecular Weight>
428.548000

>  <IUPAC Name>
4-(2-ethylbutyl)-N-[3-(4-fluorophenoxy)-5-methylphenyl]-4-hydroxypiperidine-1-carboxamide

>  <XlogP>
5.6

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CCC(CC)CC1(CCN(CC1)C(=O)NC2=CC(=CC(=C2)C)OC3=CC=C(C=C3)F)O

>  <Isomeric SMILES>
CCC(CC)CC1(CCN(CC1)C(=O)NC2=CC(=CC(=C2)C)OC3=CC=C(C=C3)F)O

>  <InChI Std. ID>
InChI=1S/C25H33FN2O3/c1-4-19(5-2)17-25(30)10-12-28(13-11-25)24(29)27-21-14-18(3)15-23(16-21)31-22-8-6-20(26)7-9-22/h6-9,14-16,19,30H,4-5,10-13,17H2,1-3H3,(H,27,29)

>  <InChI Key>
CKKDVWOWAWTQRP-UHFFFAOYSA-N

